(2S)-2-[[4-(azaniumylmethyl)phenyl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[[4-(azaniumylmethyl)phenyl]carbonylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[[4-(azaniumylmethyl)benzoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[4-(ammoniomethyl)phenyl]-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[4-(azaniumylmethyl)benzoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-(ammoniomethyl)benzoyl]amino]-4-methyl-valerate Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)C1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)C1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C14H20N2O3/c1-9(2)7-12(14(18)19)16-13(17)11-5-3-10(8-15)4-6-11/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17)(H,18,19)/t12-/m0/s1